Input 14-fullerene_unpacked.03-td-packed.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184210032772407e+02 |
-3.184210032772400e+02 |
1.590000000000000e-10 |
-6.821210263296962e-13 |
PASS |
| Energy [step 20] |
-3.184088237669042e+02 |
-3.184088237668212e+02 |
1.590000000000000e-10 |
-8.293454811791889e-11 |
PASS |
| Multipoles [step 0] |
-1.207675111499870e-03 |
-1.211520628226222e-03 |
5.140000000000000e-06 |
3.845516726351745e-06 |
PASS |
| Multipoles [step 20] |
-2.020313533948326e+00 |
-2.020315146839614e+00 |
5.140000000000000e-06 |
1.612891288083063e-06 |
PASS |